(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine

C24H33N2OP — CID 10862479

IUPAC(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine
SMILESCCCC[C@H](/C=N\N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33N2OP/c1-3-4-13-24(19-25-26-18-11-12-21(26)20-27-2)28(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-10,14-17,19,21,24H,3-4,11-13,18,20H2,1-2H3/b25-19-/t21-,24+/m0/s1
InChIKeyLNQLPLNFVSDIFW-CJPMXRHWSA-N
MW396.51 g/mol
LogP4.77
Rot. Bonds10

About (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine

(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine (PubChem CID 10862479) has the molecular formula C24H33N2OP and a molecular weight of 396.51 g/mol. Its IUPAC name is (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine.

Molecular Properties

Compound Name(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine
PubChem CID10862479
Molecular FormulaC24H33N2OP
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine
SMILESCCCC[C@H](/C=N\N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33N2OP/c1-3-4-13-24(19-25-26-18-11-12-21(26)20-27-2)28(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-10,14-17,19,21,24H,3-4,11-13,18,20H2,1-2H3/b25-19-/t21-,24+/m0/s1
InChIKeyLNQLPLNFVSDIFW-CJPMXRHWSA-N
XLogP4.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine with MolForge

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Related Compounds

(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
CID 10927540
(E)-2-diphenylphosphanyl-N-[2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 21635358
Dqwrxivowyfkgx-jsilxlissa-
CID 21635402
Pqxpsprfkcgfhz-lmfshbmrsa-
CID 21635403
Diphenyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane
CID 70877081
CID 10862478
CID 10862478
CID 10883782
CID 10883782
(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine
CID 10883783
(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 10925855
(E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine
CID 10959617
CID 10960853
CID 10960853
(Z,3S)-3-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]heptan-4-imine
CID 10960854

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine?
The IUPAC name of (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine (CID 10862479) is (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine.
What is the SMILES notation for (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine?
The canonical SMILES for (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine is CCCC[C@H](/C=N\N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine?
The InChIKey is LNQLPLNFVSDIFW-CJPMXRHWSA-N. The full InChI is InChI=1S/C24H33N2OP/c1-3-4-13-24(19-25-26-18-11-12-21(26)20-27-2)28(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-10,14-17,19,21,24H,3-4,11-13,18,20H2,1-2H3/b25-19-/t21-,24+/m0/s1.
What are the key properties of (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine?
(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine has a molecular weight of 396.51 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine is sourced from PubChem (CID 10862479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).